Regression diagnostics applied in kinetic data processing: outlier recognition and robust weighting procedures

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Abstract

An efficient protocol, based on advanced statistical diagnostics and robust fitting techniques appliedto the least-squares processing of kinetic data of chemical reactions, is here presented anddiscussed.The procedure, which is aimed at obtaining highly accurate estimation of the fitting parameters,consists in the identification of the outliers that remarkably impair the fitting by means of the socalled 'leverage analysis' and some related diagnostics, allowing the elimination of the actuallyaberrant observations from the data set and/or their robust weighting to inhibit the negative effectsinduced on the data fitting and to reduce the bias introduced into the parameter estimates. It hasbeen found that the proposed procedure, indeed applied to experimental kinetic data, does yield to asignificant improvement of the regression results.
Lingua originaleEnglish
pagine (da-a)587-607
Numero di pagine21
RivistaInternational Journal of Chemical Kinetics
Volume42
Stato di pubblicazionePublished - 2010

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All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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